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[(3aR,7S,7aS)-2-keto-4-methyl-3,3a,5,6,7,7a-hexahydro-1H-isothiazolo[4,3-b]pyridin-7-yl]methanol

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[(3aR,7S,7aS)-2-keto-4-methyl-3,3a,5,6,7,7a-hexahydro-1H-isothiazolo[4,3-b]pyridin-7-yl]methanol
SpectraBase Compound ID 5Z40P7fag8b
InChI InChI=1S/C8H16N2O2S/c1-10-3-2-6(4-11)8-7(10)5-13(12)9-8/h6-9,11H,2-5H2,1H3/t6-,7+,8+,13?/m1/s1
InChIKey FGBRLTPSHZQGLX-AXPZKODWSA-N
Mol Weight 204.29 g/mol
Molecular Formula C8H16N2O2S
Exact Mass 204.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GeShsiCi6Fw
Name [(3aR,7S,7aS)-2-keto-4-methyl-3,3a,5,6,7,7a-hexahydro-1H-isothiazolo[4,3-b]pyridin-7-yl]methanol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H16N2O2S
InChI InChI=1S/C8H16N2O2S/c1-10-3-2-6(4-11)8-7(10)5-13(12)9-8/h6-9,11H,2-5H2,1H3/t6-,7+,8+,13?/m1/s1
InChIKey FGBRLTPSHZQGLX-AXPZKODWSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 204.287 g/mol
Source File Reference MHKO17956